tert-butyl 3-[[6-(1,2,4-triazol-4-yl)indol-1-yl]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[6-(1,2,4-triazol-4-yl)indol-1-yl]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[[6-(1,2,4-triazol-4-yl)indol-1-yl]methyl]pyrrolidine-1-carboxylate CAS Name: 3-[[6-(1,2,4-triazol-4-yl)-1-indolyl]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[6-(1,2,4-triazol-4-yl)indol-1-yl]methyl]pyrrolidine-1-carboxylate Traditional Name: 3-[[6-(1,2,4-triazol-4-yl)indol-1-yl]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)CN2C=CC3=C2C=C(C=C3)N4C=NN=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)CN2C=CC3=C2C=C(C=C3)N4C=NN=C4

InChI

InChI=1S/C20H25N5O2/c1-20(2,3)27-19(26)24-8-6-15(12-24)11-23-9-7-16-4-5-17(10-18(16)23)25-13-21-22-14-25/h4-5,7,9-10,13-15H,6,8,11-12H2,1-3H3